1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine

C11H17N3 — CID 135228044

IUPAC1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine
SMILESC=C1C=CC(C(C)(C)C)=NN1/C=N/C
InChIInChI=1S/C11H17N3/c1-9-6-7-10(11(2,3)4)13-14(9)8-12-5/h6-8H,1H2,2-5H3/b12-8+
InChIKeyCSMWGELJDPYWAN-XYOKQWHBSA-N
MW191.28 g/mol
LogP2.43
Rot. Bonds1

About 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine

1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine (PubChem CID 135228044) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine
PubChem CID135228044
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine
SMILESC=C1C=CC(C(C)(C)C)=NN1/C=N/C
InChIInChI=1S/C11H17N3/c1-9-6-7-10(11(2,3)4)13-14(9)8-12-5/h6-8H,1H2,2-5H3/b12-8+
InChIKeyCSMWGELJDPYWAN-XYOKQWHBSA-N
XLogP2.43
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine?
The IUPAC name of 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine (CID 135228044) is 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine is C=C1C=CC(C(C)(C)C)=NN1/C=N/C.
What is the InChIKey of 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine?
The InChIKey is CSMWGELJDPYWAN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-6-7-10(11(2,3)4)13-14(9)8-12-5/h6-8H,1H2,2-5H3/b12-8+.
What are the key properties of 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine?
1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine has a molecular weight of 191.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-6-methylidenepyridazin-1-yl)-N-methylmethanimine is sourced from PubChem (CID 135228044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).